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Hydroxide → 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-propan-2-yloxypiperidin-1-yl]-1,3-benzothiazole-7-carboxylic acid

HRID 663376
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인쇄 미리보기

반응식

HRID 663376 반응식
[Cl:1][c:2]1[n:3][c:4]([C:9](=[O:10])[NH:11][CH:12]2[CH:13]([O:32][CH:33]([CH3:34])[CH3:35])[CH2:14][N:15]([c:18]3[s:19][c:20]4[c:21]([n:22]3)[cH:23][cH:24][cH:25][c:26]4[C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH2:16][CH2:17]2)[nH:5][c:6]1[CH2:7][CH3:8].[Li+:38].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH-:37].[OH2:36].[OH2:39]>>[Cl:1][c:2]1[n:3][c:4]([C:9](=[O:10])[NH:11][CH:12]2[CH:13]([O:32][CH:33]([CH3:34])[CH3:35])[CH2:14][N:15]([c:18]3[s:19][c:20]4[c:21]([n:22]3)[cH:23][cH:24][cH:25][c:26]4[C:27](=[O:28])[OH:29])[CH2:16][CH2:17]2)[nH:5][c:6]1[CH2:7][CH3:8]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68416941ethyl 2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-propan-2-yloxypiperidin-1-yl]-1,3-benzothiazole-7-carboxylate

생성물 1

HCID 68415261
2-[4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-propan-2-yloxypiperidin-1-yl]-1,3-benzothiazole-7-carboxylic acid

출처 및 근거

ORD 기록
ord-a0912234b1df469eaf93dd8fe9af98d7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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